SCHEMBL6236929

SCHEMBL6236929

CN(C)CC=Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
PTPRA P18433 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 6/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
ACLY P53396 1/20 0.41
IKBKB O14920 1/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6236925 1.00 PTPN1 (0.45) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL4439815 0.84 PTPN1 (0.48) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL6230519 0.84 PTPN1 (0.48) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL2276857 0.73 PTPN1 (0.49) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL4379744 0.73 PTPN1 (0.49) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL1531291 0.71 MAPT (0.58) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL5255875 0.71 MAPT (0.58) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL1531292 0.71 MAPT (0.58) PTPN1PTPRAMAPTALDH1A1POLB
SCHEMBL4725164 0.71 MAPT (0.48) MAPTALDH1A1POLBKDM4ERAB9A
SCHEMBL14350084 0.71 MAPT (0.48) MAPTALDH1A1POLBKDM4ERAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed